19 Aug 2016

Coding and Cats - the end of GSoC

Hello again! It’s been a while since my last post and there’s a lot I’d liked to have talked about more if I’d found the time, but with the end of the coding period only a handful of days away, let’s take a look at what I’ve managed to achieve throughout GsoC.


28 Jul 2016

The private life of cats

Welcome back to another fun round of Python-wrangling (a.k.a. what I’ve learnt to do with Python during GSoC)! Today I’ll be talking about ‘private’ variables and the property attribute.


13 Jul 2016

Wrapping the Universe

Hello again! I was away most of last week, hence the delay for this post, but I’m finally here to bring you your next dose of explanatory kitties!


23 Jun 2016

Timeline update and a sweet treat

Hello again! Sorry for the long wait since last post – I’m falling behind my proposed timeline so I’ve been focusing more on trying to catch that up a bit.


08 Jun 2016

How to train your Python

While working with trajectories these past weeks, I’ve been reading up and making use of a neat set of things related to the iterator protocol in Python. Iterators are what let us loop over each frame in a trajectory in turn, analysing as we go, and so are a key part of what I’m doing with my ‘add_auxiliary’ subproject and of MDAnalysis in general! Let’s take a look.


04 Jun 2016

Auxiliary power, then full steam ahead!

Nearly two weeks of coding down, about eleven to go! It’s been a bit of a slow start, but now I’m starting to get into the swing of things. This post was originally going to be longer, but I’ve decided to split it, so unfortunately you don’t get as many cats this week. On the plus side, the intended second half – the inaugural What I Learnt about Python This Week (witty alternative name pending) – should be up in the next couple of days, rather than the usual 1+ week!


25 May 2016

What is this MD thing anyway?

With the GoSC coding period now started, here’s that background and for my project I promised last post! I’ve tried to start from the (relative) basics so the context of what I’m trying achieve with my project is more clear; if you already know how Molecular Dynamics and Umbrella Sampling work (or you’re just not that interested), feel free to skip ahead to the overview of my GoSC project or projected timeline.


14 May 2016

Hello World

Welcome to my first blog post! I’ve set this blog up to follow my experiences as I participate in Google Summer of Code 2016, but hopefully I can make it generally interesting to anyone who happens to stumble their way here.